Compound Identification
SMILES
CC(CCC(=O)NC(CO)CS([O-])(=O)=O)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=VKPVSJHIDCDERJ-UHFFFAOYSA-M
Formula
C27H46NO9S
Mass
560.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Taurinated bile acids and derivatives
Alternative Parents
Tetrahydroxy bile acids, alcohols and derivatives 6-hydroxysteroids 3-hydroxysteroids 16-hydroxysteroids Diterpenoids N-acyl amines Sulfonyls Organosulfonic acids Secondary alcohols Cyclic alcohols and derivatives Polyols Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - Tetrahydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Diterpenoid - 16-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - Fatty acyl - N-acyl-amine - Fatty amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic anion - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
External Descriptors
Not available